SCHEMBL2492086

SCHEMBL2492086

CCNCc1cccc(-c2ccccc2C)c1-c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
SCN8A Q9UQD0 3/20 0.40
PDCD1LG2 Q9BQ51 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
GAA P10253 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 2/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2490782 0.83 CD274 (0.47) CHRM2SCN8APDCD1LG2CD274ALDH1A1
Diethylamine SCHEMBL6930279 0.82 HEXA (0.42) CYP2D6TSHRHEXAHEXBALDH1A1
SCHEMBL2491886 0.80 SCN8A (0.50) CHRM2SCN8ACD274GAASLC6A4
SCHEMBL23347216 0.78 SCN8A (0.43) CHRM2SCN8ACD274GAASLC6A2
SCHEMBL6659252 0.78 CHRM2 (0.62) CHRM2GAASLC6A2SLC6A4SLC6A3
SCHEMBL2494466 0.76 HTR1A (0.53) CHRM2GAAMAPTTP53CYP2D6
SCHEMBL11624233 0.75 HEXA (0.36) CD274MAPTTSHRHEXAHEXB
SCHEMBL19244144 0.74 GAA (0.46) CHRM2SCN8APDCD1LG2CD274GAA
Diethylamine SCHEMBL9189446 0.74 HEXA (0.45) MAPTHSD17B10TP53MAPK1CYP2D6
SCHEMBL21267257 0.72 CHRM2 (0.42) CHRM2SCN8APDCD1LG2CD274GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH CHRM2 488/4885SCN8A 2532/4885PDCD1LG2 4419/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CHRM2 292/4885SCN8A 2710/4885PDCD1LG2 4247/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CHRM2 277/4885SCN8A 2739/4885PDCD1LG2 4215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.